2,7-Naphthalenedisulfonic acid, 3,3′-[(3,3′-dihydroxy[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[5-ethoxy-4-hydroxy-, copper complex

83232-53-5

CAS Name

Cuprate(4-), [μ-[[3,3′-[(3,3′-dihydroxy[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[5-ethoxy-4-hydroxy-2,7-naphthalenedisulfonato]](8-)]]di-, tetrasodium

Molecular Formula

C₃₆H₂₂Cu₂N₄O₁₈S₄.4Na

Other Names and Identifiers

InChI

InChI=1S/C36H30N4O18S4.2Cu.4Na/c1-3-57-27-15-21(59(45,46)47)9-19-13-29(61(51,52)53)33(35(43)31(19)27)39-37-23-7-5-17(11-25(23)41)18-6-8-24(26(42)12-18)38-40-34-30(62(54,55)56)14-20-10-22(60(48,49)50)16-28(58-4-2)32(20)36(34)44;;;;;;/h5-16,41-44H,3-4H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;;/q;2*+2;4*+1/p-8

InChIKey

InChIKey=RBJKYZULJDQBCY-UHFFFAOYSA-F

SMILES

S(=O)(=O)([O-])C1=C2C(=C3C(=C1)C=C(S(=O)(=O)[O-])C=C3OCC)[O-][Cu+2]4[N]2=NC=5C([O-]4)=CC(=CC5)C=6C=C7C(=CC6)N=[N]8[Cu+2]([O-]7)[O-]C=9C8=C(S(=O)(=O)[O-])C=C%10C9C(OCC)=CC(S(=O)(=O)[O-])=C%10.[Na+]

Canonical SMILES

[Na+].O=S(=O)([O-])C=1C=C(OCC)C=2C(C1)=CC(=C3C2[O-][Cu+2]4[O-]C=5C=C(C=CC5N=[N]34)C6=CC=C7N=[N]8C=9C([O-][Cu+2]8[O-]C7=C6)=C%10C(OCC)=CC(=CC%10=CC9S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

Other Names for this Substance